Utilities

Supplementary material:

• AOMix export is possible with the t2aomix script and program for Linux (64bit, download here).
  To install, please unpack t2aomix.tar.gz in your $TURBODIR directory.
• Fixed t2x. Writes out excited state energies from TDDFT geometry optimizations, here. Please copy the file to $TURBODIR/scripts and unpack there.
• Modified scripts for RedHat5, here.
  Please copy the file to $TURBODIR/scripts and unpack there.
  Only needed for Turbomole versions 5.10 and older - the patch is included since Turbomole 6.0.
• The basis set libraries can be accessed via the FTP-Server:
  • standard basis sets (all programs),
  • (RIDFT, RDGRAD) auxiliary RI-J basis sets,
  • auxiliary RI-Correlation basis sets (RIMP2, RICC2)
• Problems with our FTP server?
  Netscape and some other browser use ftp in passive mode, which presently does not work with our ftp server. There are two ways to get around this:
  • from a unix shell you can open an anonymous ftp session in active mode with:
    ftp -a -A ftp.chemie.uni-karlsruhe.de
  • use any ftp program to open an anonymous ftp session on our server ftp.chemie.uni-karlsruhe.de. Immediately after login switch into active mode with the command passive off.